N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide

C19H16N4O2S — CID 27691817

IUPACN'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
SMILESO=C(CCc1nc2ccccc2s1)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N4O2S/c24-17(9-10-18-21-15-7-3-4-8-16(15)26-18)22-23-19(25)13-11-20-14-6-2-1-5-12(13)14/h1-8,11,20H,9-10H2,(H,22,24)(H,23,25)
InChIKeyUPCNZWAGLAXDNO-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.17
Rot. Bonds4

About N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide

N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide (PubChem CID 27691817) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
PubChem CID27691817
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
SMILESO=C(CCc1nc2ccccc2s1)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N4O2S/c24-17(9-10-18-21-15-7-3-4-8-16(15)26-18)22-23-19(25)13-11-20-14-6-2-1-5-12(13)14/h1-8,11,20H,9-10H2,(H,22,24)(H,23,25)
InChIKeyUPCNZWAGLAXDNO-UHFFFAOYSA-N
XLogP3.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472811
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide
CID 30147385
1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-propan-2-ylthiourea
CID 7978198
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 9472025
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate
CID 4878259
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 3881152
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 30284047
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 8693612

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide (CID 27691817) is N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide is O=C(CCc1nc2ccccc2s1)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide?
The InChIKey is UPCNZWAGLAXDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-17(9-10-18-21-15-7-3-4-8-16(15)26-18)22-23-19(25)13-11-20-14-6-2-1-5-12(13)14/h1-8,11,20H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide?
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide has a molecular weight of 364.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 27691817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).